* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    161    261     476
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02068    78.85521   -85.39174
    3     1 S   H    _H1_     3     1.02057    99.48355    21.96071
    4     1 S   H    _H2_     4     1.02142    36.77195   130.58114
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88696   179.05602
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.82208    98.02223   161.82368
   34    33 S   HC   _H6_    37     1.11840   106.45355   -61.29146
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C21    38     1.51412   112.25371   179.98022
   39    38 S   CT   _C7_    39     1.52733   116.61593  -109.13138
   40    39 S   HC   _H5_    40     1.01718   107.04987   154.20641
   41    38 S   CMA  _C22    80     1.34386   122.02995    72.46809
   42    41 S   OM   _O36    81     1.27002   124.40036   178.29992
   43    39 S   CT   _C8_    41     1.53356   108.44637   -90.63204
   44    43 S   HC   _H11    42     1.12073   107.87538    43.16145
   45    43 S   HC   _H12    43     1.11714   109.39961   -64.64887
   46    39 S   CT   _C6_    67     1.53544   106.95980    35.28121
   47    46 S   HC   _H4_    68     1.11428   101.91751    51.57366
   48    41 S   OS   _O37    82     1.42200   109.96754    -1.54889
   49    43 S   CA   _C9_    44     1.50453   120.95463   169.00501
   50    46 S   CO   _C25    69     1.55158   111.98881   -58.97902
   51    50 S   HC   _H7_    70     1.08857   110.16729   146.42835
   52    48 S   CT   _C23    83     1.42743   116.08582  -180.00000
   53    52 S   HC   _H19    84     1.09304   109.50018  -180.00000
   54    52 S   HC   _H20    85     1.09286   109.50483    59.19146
   55    52 S   HC   _H21    86     1.09313   108.93506   -60.45960
   56    49 S   CR3  _C10    45     1.35149   128.30157   -18.69160
   57    33 S   OS   _O38    71     1.43353   113.36116    52.48969
   58    50 S   OH   _O39    72     1.42241   111.27203   -95.22012
   59    58 S   HO   _H22    73     0.97040   106.71639   179.98022
   60    56 S   CA   _C17    46     1.47726   117.70316  -173.76480
   61    56 S   NA   _N4_    64     1.41402   135.79404     2.50022
   62    60 S   CA   _C18    47     1.44943   122.22632    -3.47491
   63    62 S   HA   _H16    48     1.08300   120.59866  -177.80992
   64    60 S   C56B _C16    55     1.33471   109.74943   175.78416
   65    61 S   CT   _C5_    65     1.47700   125.70468    10.03309
   66    65 S   HC   _H3_    66     1.07775   107.68950  -155.65152
   67    62 S   CA   _C19    49     1.34367   115.63469     2.00086
   68    64 S   CA   _C15    56     1.43054   135.46737  -179.53902
   69    68 S   HA   _H15    57     1.08421   119.69379     0.76182
   70    65 S   CT   _C4_    74     1.53691   107.43539    92.58313
   71    70 S   HC   _H8_    75     1.08841   109.78633   -65.89656
   72    70 S   HC   _H9_    76     1.08803   109.77762   174.06482
   73    70 S   HC   _H10    77     1.08793   109.73751    54.09105
   74    49 S   NAP  _N5_    50     1.40419   113.24263   164.70194
   75    74 S   H    _H17    51     1.01816   117.91666    -3.10734
   76    67 S   CO3  _C20    52     1.51249   117.47550   179.64834
   77    76 S   O2Z  _O34    53     1.26300   115.19425  -180.00000
   78    76 S   O2Z  _O33    54     1.26401   115.10184    -0.02798
   79    68 S   CA   _C14    58     1.34440   118.44281  -179.19741
   80    79 S   CA   _C13    59     1.45326   121.75550     0.08156
   81    80 S   HA   _H14    60     1.08615   117.49488   179.70926
   82    79 S   OH   _O35    78     1.37570   123.38920   180.00000
   83    82 S   HO   _H18    79     0.96431   110.07374     0.08393
   84    80 S   CA   _C12    61     1.34385   123.22634    -0.17914
   85    84 S   HA   _H13    62     1.08242   121.44488   179.77619
   86    64 S   C56A _C11    63     1.47837   103.18869     0.89613
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  15  20   9   9   2  13   5   4  16   8   4
  11   8   4   3   2   1   1  14   3   2   1  13  14  10   4  10
   7   5   5   8   4   4   2   1   1   4   1   2   1   1   7   6
   4   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    50    51    57    58    41    42    48  
   38    39    50    57    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    65    46    47    50    57    41    42    48    52  
   40    43    44    45    49    56    74    61    65    66    46    47    50    51    57    58    70    41    42    48  
   43    44    45    49    65    46    47    50    41  
   42    48    52    53    54    55    43    46    57  
   48    52  
   44    45    49    56    60    67    74    75    61    65    46    47    50  
   45    49    56    74    46  
   49    56    74    46  
   47    50    51    57    58    59    70    71    72    73    49    56    61    65    66    86  
   50    51    57    58    70    61    65    66  
   52    53    54    55  
   56    60    62    67    74    75    76    64    86    61    65  
   51    57    58    59    70    61    65    66  
   57    58    59    65  
   53    54    55  
   54    55  
   55  
    0  
   60    62    63    67    74    75    64    68    84    86    61    65    66    70  
   58    59    65  
   59    65  
    0  
   62    63    67    74    76    64    68    69    79    84    86    61    65  
   65    66    70    71    72    73    62    64    68    74    80    84    85    86  
   63    67    74    75    76    77    78    64    68    86  
   67    74    76    64  
   68    69    79    80    84    85    86    65    82    67  
   66    70    71    72    73    84    86  
   70    71    72    73    86  
   74    75    76    77    78  
   69    79    80    81    84    86    82    83  
   79    80    86    82  
   71    72    73    86  
   72    73  
   73  
    0  
   75    76    77    78  
   76  
   77    78  
   78  
    0  
   80    81    84    85    86    82    83  
   81    84    85    86    82    83  
   84    85    86    82  
   83    84  
    0  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.020100   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.222400   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700  -0.133300   1.8650   1.6500   0.001000000  -0.511443539
   62   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.151300   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   75   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    57   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    56   490.000  1.398
   49    74   485.000  1.342
   56    60   490.000  1.398
   56    61   483.000  1.339
   60    62   469.000  1.400
   60    64   469.000  1.404
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    74   485.000  1.342
   67    76   400.000  1.490
   74    75   475.000  1.020
   76    77   656.000  1.250
   76    78   656.000  1.250
   64    68   469.000  1.404
   64    86   447.000  1.419
   68    69   367.000  1.080
   68    79   469.000  1.400
   79    80   469.000  1.400
   79    82   450.000  1.364
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    61   428.000  1.380
   61    65   320.000  1.443
   65    66   340.000  1.090
   65    46   268.000  1.529
   65    70   268.000  1.529
   46    47   340.000  1.090
   46    50   250.000  1.527
   50    51   340.000  1.090
   50    57   320.000  1.380
   50    58   380.000  1.407
   58    59   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   82    83   553.000  0.945
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    57    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    57    50    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    70.00000  112.17500
   39    46    65    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    75.00000  109.43000
   43    39    40    37.50000  110.70000
   43    49    56    80.00000  105.07000
   43    49    74    70.00000  116.21300
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    56    60    60.00000  130.80000
   49    56    61    70.00000  124.00000
   49    74    67    70.00000  123.81700
   49    74    75    45.00000  117.56800
   56    60    62    70.00000  112.88000
   56    60    64    63.00000  120.00000
   56    61    86    70.00000  114.00000
   56    61    65    70.00000  114.00000
   60    62    63    35.00000  120.00000
   60    62    67    63.00000  120.00000
   60    64    68    65.00000  119.97700
   60    64    86    85.00000  116.20000
   62    67    74    70.00000  119.29800
   62    67    76    85.00000  120.00000
   67    62    63    35.00000  120.00000
   67    74    75    45.00000  117.56800
   67    76    77    80.00000  120.40000
   67    76    78    80.00000  120.40000
   74    49    56    70.00000  119.29800
   76    67    74    75.00000  117.56100
   78    76    77    80.00000  126.00000
   64    60    62    63.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    79    63.00000  120.00000
   64    86    84    85.00000  122.70000
   64    86    61    70.00000  104.40000
   68    79    80    63.00000  120.00000
   68    79    82    70.00000  120.00000
   79    68    69    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    84    63.00000  120.00000
   79    82    83    35.00000  113.00000
   80    84    85    35.00000  120.00000
   80    84    86    85.00000  120.00000
   84    80    81    35.00000  120.00000
   84    86    61    70.00000  132.80000
   86    64    68    85.00000  116.20000
   86    84    85    35.00000  120.00000
   86    61    65    65.00000  128.16600
   61    56    60    70.00000  124.00000
   61    65    66    50.00000  108.61900
   61    65    46    75.00000  111.19500
   61    65    70    75.00000  111.19500
   65    46    47    37.50000  110.70000
   65    46    50    75.00000  109.43000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    50    51    45.00000  112.01100
   46    50    57    90.00000  108.56700
   46    50    58    90.00000  110.19100
   50    46    47    45.00000  108.72000
   50    58    59    70.00000  107.92000
   57    33    34    35.00000  109.50000
   57    33    38    85.00000  110.90400
   57    50    51    35.00000  109.50000
   58    50    51    60.00000  108.02500
   58    50    57   110.00000  112.08000
   70    65    66    37.50000  110.70000
   70    65    46    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   82    79    80    70.00000  120.00000
   41    38    39    70.00000  124.00000
   41    48    52    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    57    50   0.14700  1.0 1.0
   29    33    57    50  -1.16150 -1.0 2.0
   29    33    57    50   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    57    50   0.37050  1.0 3.0
   38    33    57    50  -0.77900  1.0 1.0
   38    33    57    50  -0.36900 -1.0 2.0
   38    33    57    50   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.21200  1.0 1.0
   38    39    43    49   0.16900 -1.0 2.0
   38    39    43    49  -1.15100  1.0 3.0
   38    39    46    65   0.34400  1.0 1.0
   38    39    46    65   0.09450 -1.0 2.0
   38    39    46    65   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    50   0.34400  1.0 1.0
   38    39   -46    50   0.09450 -1.0 2.0
   38    39   -46    50   0.11100  1.0 3.0
   38    41    48    52  -2.26850  1.0 1.0
   38    41    48    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    56   0.04150 -1.0 2.0
   39    43    49    74   0.29300  1.0 1.0
   39    43    49    74  -1.19700 -1.0 2.0
   39    43    49    74   0.60900  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    57   0.62750  1.0 1.0
   39    46    50    57  -0.30950 -1.0 2.0
   39    46    50    57   0.27300  1.0 3.0
   39    46    50    58   0.86500  1.0 1.0
   39    46    50    58  -0.17500 -1.0 2.0
   39    46    50    58   0.20800  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.43200  1.0 3.0
   40    39    46    65   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   43    39    46    65   0.56750  1.0 1.0
   43    39    46    65  -0.07550 -1.0 2.0
   43    39    46    65   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    50   3.97050  1.0 1.0
   43    49    56    60   3.62500 -1.0 2.0
   43    49    56    61   3.62500 -1.0 2.0
   43    49    74    67   3.62500 -1.0 2.0
   43    49    74    75   3.62500 -1.0 2.0
   44    43    49    56   0.00000  1.0 1.0
   44    43    49    74   0.00000  1.0 1.0
   45    43    49    56   0.00000  1.0 1.0
   45    43    49    74   0.00000  1.0 1.0
   49    56    60    62   3.62500 -1.0 2.0
   49    56    60    64   3.62500 -1.0 2.0
   49    56    61    86   3.62500 -1.0 2.0
   49    56    61    65   3.62500 -1.0 2.0
   56    49    74    67   3.62500 -1.0 2.0
   56    49    74    75   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60   -62    67   3.62500 -1.0 2.0
   56    60    64    68   3.62500 -1.0 2.0
   56    60   -64    86   3.50000 -1.0 2.0
   56    61    65    66   0.00000  1.0 1.0
   56    61    65    46   1.10250  1.0 1.0
   56    61    65    46   0.01650 -1.0 2.0
   56    61    65    46   0.39100  1.0 3.0
   56    61    65    70   1.10250  1.0 1.0
   56    61    65    70   0.01650 -1.0 2.0
   56    61    65    70   0.39100  1.0 3.0
   60    56   -61    86   3.62500 -1.0 2.0
   60    56    61    65   3.62500 -1.0 2.0
   60    62    67    74   3.62500 -1.0 2.0
   60    62    67    76   3.62500 -1.0 2.0
   60    64    68    69   3.62500 -1.0 2.0
   60    64    68    79   3.62500 -1.0 2.0
   60    64    86    84   3.00000 -1.0 2.0
   60    64   -86    61   3.00000 -1.0 2.0
   62    60    64    68   3.62500 -1.0 2.0
   62    60    64    86   3.50000 -1.0 2.0
   62    67   -74    49   3.62500 -1.0 2.0
   62    67    74    75   3.62500 -1.0 2.0
   62    67    76    77   1.05000 -1.0 2.0
   62    67    76    78   1.05000 -1.0 2.0
   63    62    67    74   3.62500 -1.0 2.0
   63    62    67    76   3.62500 -1.0 2.0
   74    49   -56    60   3.62500 -1.0 2.0
   74    49    56    61   3.62500 -1.0 2.0
   74    67    76    77   1.05000 -1.0 2.0
   74    67    76    78   1.05000 -1.0 2.0
   76    67    74    49   3.62500 -1.0 2.0
   76    67    74    75   3.62500 -1.0 2.0
   64    60    62    63   3.62500 -1.0 2.0
   64    60    62    67   3.62500 -1.0 2.0
   64    68    79    80   3.62500 -1.0 2.0
   64    68    79    82   3.62500 -1.0 2.0
   64    86   -61    56   3.62500 -1.0 2.0
   64    86    61    65   3.62500 -1.0 2.0
   68    64    86    84   3.00000 -1.0 2.0
   68    64    86    61   3.00000 -1.0 2.0
   68    79    80    81   3.62500 -1.0 2.0
   68    79   -80    84   3.62500 -1.0 2.0
   68    79    82    83   0.84100 -1.0 2.0
   69    68    79    80   3.62500 -1.0 2.0
   69    68    79    82   3.62500 -1.0 2.0
   79    80    84    85   3.62500 -1.0 2.0
   79    80    84    86   3.62500 -1.0 2.0
   80    79    82    83   0.84100 -1.0 2.0
   80    84   -86    64   3.62500 -1.0 2.0
   80    84    86    61   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   81    80    84    86   3.62500 -1.0 2.0
   84    86    61    56   3.62500 -1.0 2.0
   84    86    61    65   3.62500 -1.0 2.0
   85    84    86    64   3.62500 -1.0 2.0
   85    84    86    61   3.62500 -1.0 2.0
   86    64    68    69   3.50000 -1.0 2.0
   86    64   -68    79   3.50000 -1.0 2.0
   86    61    65    66   0.00000  1.0 1.0
   86    61    65    46   1.10250  1.0 1.0
   86    61    65    46   0.01650 -1.0 2.0
   86    61    65    46   0.39100  1.0 3.0
   86    61    65    70   1.10250  1.0 1.0
   86    61    65    70   0.01650 -1.0 2.0
   86    61    65    70   0.39100  1.0 3.0
   61    56    60    62   3.62500 -1.0 2.0
   61    56   -60    64   3.62500 -1.0 2.0
   61    65    46    39  -0.64600  1.0 1.0
   61    65    46    39   0.58400 -1.0 2.0
   61    65    46    47   0.15000  1.0 3.0
   61    65    46    50  -0.64600  1.0 1.0
   61    65    46    50   0.58400 -1.0 2.0
   61    65    70    71   0.15000  1.0 3.0
   61    65    70    72   0.15000  1.0 3.0
   61    65    70    73   0.15000  1.0 3.0
   65    46    50    51   0.15000  1.0 3.0
   65    46    50    57   0.62750  1.0 1.0
   65    46    50    57  -0.30950 -1.0 2.0
   65    46    50    57   0.27300  1.0 3.0
   65    46    50    58   0.86500  1.0 1.0
   65    46    50    58  -0.17500 -1.0 2.0
   65    46    50    58   0.20800  1.0 3.0
   66    65    46    39   0.15000  1.0 3.0
   66    65    46    47   0.15000  1.0 3.0
   66    65    46    50   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39    43    49  -0.03700  1.0 1.0
   46    39    43    49   0.37200 -1.0 2.0
   46    39    43    49  -0.47300  1.0 3.0
   46    65    70    71   0.15000  1.0 3.0
   46    65    70    72   0.15000  1.0 3.0
   46    65    70    73   0.15000  1.0 3.0
   46    50   -57    33   0.06250  1.0 1.0
   46    50   -57    33  -0.01100 -1.0 2.0
   46    50   -57    33   0.28050  1.0 3.0
   46    50    58    59  -0.11600  1.0 1.0
   46    50    58    59  -0.09450 -1.0 2.0
   46    50    58    59   0.21250  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    57   0.23400  1.0 3.0
   47    46    50    58   0.23400  1.0 3.0
   51    50    57    33   0.37050  1.0 3.0
   51    50    58    59   0.19450  1.0 3.0
   57    33   -38    39   0.09700  1.0 1.0
   57    33   -38    39   0.15600 -1.0 2.0
   57    33   -38    39  -0.50800  1.0 3.0
   57    33    38    41   0.39000  1.0 1.0
   57    33    38    41  -0.05800 -1.0 2.0
   57    33    38    41  -0.55150  1.0 3.0
   57    50    58    59  -0.50000  1.0 1.0
   57    50    58    59  -0.73950 -1.0 2.0
   57    50    58    59   0.17150  1.0 3.0
   58    50    57    33  -0.81800  1.0 1.0
   70    65    46    39   0.56750  1.0 1.0
   70    65    46    39  -0.07550 -1.0 2.0
   70    65    46    39   0.20000  1.0 3.0
   70    65    46    47   0.15000  1.0 3.0
   70    65    46    50   3.97050  1.0 1.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    84   3.62500 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    52    53   0.08050  1.0 3.0
   41    48    52    54   0.08050  1.0 3.0
   41    48    52    55   0.08050  1.0 3.0
   42    41    48    52   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   56    74    49    43   4.00000 -1.0 2.0
   60    61    56    49   4.00000 -1.0 2.0
   62    64    60    56   4.00000 -1.0 2.0
   67    63    62    60   1.10000 -1.0 2.0
   76    74    67    62   4.00000 -1.0 2.0
   75    49    74    67   1.00000 -1.0 2.0
   77    67    76    78  10.50000 -1.0 2.0
   68    86    64    60   4.00000 -1.0 2.0
   79    69    68    64   1.10000 -1.0 2.0
   80    82    79    68   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   86    85    84    80   1.10000 -1.0 2.0
   84    61    86    64   4.00000 -1.0 2.0
   86    65    61    56   4.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
